SCHEMBL4774367

SCHEMBL4774367

COc1ccc(-c2cc3ccccc3c(N3CCC(N4CCCCC4)CC3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.52
NPSR1 Q6W5P4 4/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
PKM P14618 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
POLB P06746 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7688211 0.99 HRH3 (0.51) HRH3NPSR1KMT2AMEN1SMN1; SMN2
SCHEMBL4765804 0.90 TLR9 (0.48) HRH3NPSR1KMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL4773586 0.89 TLR9 (0.48) HRH3NPSR1KMT2AMEN1SMN1; SMN2
SCHEMBL14102727 0.83 NPSR1 (0.47) NPSR1KMT2AMEN1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4763394 0.82 NPSR1 (0.47) NPSR1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL4770812 0.81 HRH4 (0.56) KMT2AMEN1CYP1A2CYP2D6HPGD
SCHEMBL4772233 0.80 MERTK (0.55) LMNAMAPTALDH1A1HPGDTDP1
SCHEMBL4771287 0.80 ROCK2 (0.60) KMT2AALDH1A1CYP1A2CYP2D6POLB
Hydrochloric Acid SCHEMBL4769484 0.79 MERTK (0.54) LMNAMAPTALDH1A1HPGDTDP1
SCHEMBL4770751 0.78 PRKCB (0.56) NPSR1KMT2AMEN1SMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US claimed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP claimed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 HRH3 191/4885NPSR1 1494/4885KMT2A 1240/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 HRH3 110/4885NPSR1 1759/4885KMT2A 1300/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.